SCHEMBL5790883

SCHEMBL5790883

O=C(O)C1(c2ccc(-c3ccc(OC(=O)C4(c5ccc(-c6ccc(F)c(F)c6)c(F)c5)CC4)cc3)c(F)c2)CC1.O=C(O)C1(c2ccc(-c3ccc(OC4CCOCC4)cc3)c(F)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.81
CYP2C9 P11712 7/20 0.61
CYP3A4 P08684 6/20 0.58
CYP2C19 P33261 6/20 0.58
CYP2D6 P10635 3/20 0.58
CYP1A2 P05177 1/20 0.58
AKR1C3 P42330 6/20 0.49
AKR1C2 P52895 6/20 0.49
AKR1C1 Q04828 3/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1C4 P17516 1/20 0.49
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4990072 0.95 APP (0.89) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL3936259 0.95 APP (0.90) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1373512 0.90 APP (1.00) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL3942347 0.86 APP (0.92) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1371389 0.80 APP (0.80) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1374640 0.78 APP (0.79) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1371930 0.77 APP (0.82) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1374496 0.77 APP (1.00) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1371328 0.75 CYP3A4 (0.79) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1373499 0.73 APP (1.00) APPCYP2C9CYP3A4CYP2C19CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
WO-2006020853-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed